4-[3-(1H-imidazol-2-yl)-6-phenyl-1,7-dihydroindazol-6-yl]-1,3-thiazole

C19H15N5S — CID 135594017

IUPAC4-[3-(1H-imidazol-2-yl)-6-phenyl-1,7-dihydroindazol-6-yl]-1,3-thiazole
SMILESC1=CC(c2ccccc2)(c2cscn2)Cc2[nH]nc(-c3ncc[nH]3)c21
InChIInChI=1S/C19H15N5S/c1-2-4-13(5-3-1)19(16-11-25-12-22-16)7-6-14-15(10-19)23-24-17(14)18-20-8-9-21-18/h1-9,11-12H,10H2,(H,20,21)(H,23,24)
InChIKeyBFZPKTWYASHSFL-UHFFFAOYSA-N
MW345.43 g/mol
LogP3.81
Rot. Bonds3

About 4-[3-(1H-imidazol-2-yl)-6-phenyl-1,7-dihydroindazol-6-yl]-1,3-thiazole

4-[3-(1H-imidazol-2-yl)-6-phenyl-1,7-dihydroindazol-6-yl]-1,3-thiazole (PubChem CID 135594017) has the molecular formula C19H15N5S and a molecular weight of 345.43 g/mol. Its IUPAC name is 4-[3-(1H-imidazol-2-yl)-6-phenyl-1,7-dihydroindazol-6-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-[3-(1H-imidazol-2-yl)-6-phenyl-1,7-dihydroindazol-6-yl]-1,3-thiazole
PubChem CID135594017
Molecular FormulaC19H15N5S
Molecular Weight345.43 g/mol
Exact Mass345.10
IUPAC Name4-[3-(1H-imidazol-2-yl)-6-phenyl-1,7-dihydroindazol-6-yl]-1,3-thiazole
SMILESC1=CC(c2ccccc2)(c2cscn2)Cc2[nH]nc(-c3ncc[nH]3)c21
InChIInChI=1S/C19H15N5S/c1-2-4-13(5-3-1)19(16-11-25-12-22-16)7-6-14-15(10-19)23-24-17(14)18-20-8-9-21-18/h1-9,11-12H,10H2,(H,20,21)(H,23,24)
InChIKeyBFZPKTWYASHSFL-UHFFFAOYSA-N
XLogP3.81
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1H-imidazol-2-yl)-6-phenyl-1,7-dihydroindazol-6-yl]-1,3-thiazole?
The IUPAC name of 4-[3-(1H-imidazol-2-yl)-6-phenyl-1,7-dihydroindazol-6-yl]-1,3-thiazole (CID 135594017) is 4-[3-(1H-imidazol-2-yl)-6-phenyl-1,7-dihydroindazol-6-yl]-1,3-thiazole.
What is the SMILES notation for 4-[3-(1H-imidazol-2-yl)-6-phenyl-1,7-dihydroindazol-6-yl]-1,3-thiazole?
The canonical SMILES for 4-[3-(1H-imidazol-2-yl)-6-phenyl-1,7-dihydroindazol-6-yl]-1,3-thiazole is C1=CC(c2ccccc2)(c2cscn2)Cc2[nH]nc(-c3ncc[nH]3)c21.
What is the InChIKey of 4-[3-(1H-imidazol-2-yl)-6-phenyl-1,7-dihydroindazol-6-yl]-1,3-thiazole?
The InChIKey is BFZPKTWYASHSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5S/c1-2-4-13(5-3-1)19(16-11-25-12-22-16)7-6-14-15(10-19)23-24-17(14)18-20-8-9-21-18/h1-9,11-12H,10H2,(H,20,21)(H,23,24).
What are the key properties of 4-[3-(1H-imidazol-2-yl)-6-phenyl-1,7-dihydroindazol-6-yl]-1,3-thiazole?
4-[3-(1H-imidazol-2-yl)-6-phenyl-1,7-dihydroindazol-6-yl]-1,3-thiazole has a molecular weight of 345.43 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1H-imidazol-2-yl)-6-phenyl-1,7-dihydroindazol-6-yl]-1,3-thiazole is sourced from PubChem (CID 135594017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).